SCHEMBL3892102

SCHEMBL3892102

C[n+]1ccccc1F.Cc1ccc(O)cc1S(=O)(=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.43
GAA P10253 3/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 2/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
GFER P55789 1/20 0.34
TSHR P16473 1/20 0.33
PKLR P30613 3/20 0.33
CYTH2 Q99418 1/20 0.33
HSD11B1 P28845 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTPN1 P18031 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3264047 0.84 HSD11B1 (0.35) GAAALDH1A1MEN1KMT2AESR1
SCHEMBL23221 0.83 PTGS1 (0.40) PTGS1GAAALDH1A1PKMMEN1
SCHEMBL17786966 0.83 PTGS1 (0.47) PTGS1GAAALDH1A1PKMMEN1
SCHEMBL9355762 0.81 LMNA (0.41) GAAALDH1A1PKMKMT2AESR1
Zinc Ion SCHEMBL587456 0.79 PTGS1 (0.60) PTGS1GAAALDH1A1PKMMEN1
SCHEMBL7760538 0.79 PTGS1 (0.60) PTGS1GAAALDH1A1PKMMEN1
Silver SCHEMBL5705127 0.79 PTGS1 (0.60) PTGS1GAAALDH1A1PKMMEN1
SCHEMBL124913 0.79 PTGS1 (0.60) PTGS1GAAALDH1A1PKMMEN1
Potassium Ion SCHEMBL10353844 0.79 PTGS1 (0.60) PTGS1GAAALDH1A1PKMMEN1
Lithium Ion SCHEMBL4365114 0.79 PTGS1 (0.60) PTGS1GAAALDH1A1PKMMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520979-B1 PROCESS FOR THE COVALENT SURFACE MODIFICATION OF HYDROPHOBIC POLYMERS AND ARTICLES MADE THEREFROM HEMASURE INC (US) 1999-01-13 EP claimed
EP-1268561-B1 METHOD FOR PRODUCING POLYMERS BASF SE (DE) 2009-01-28 EP disclosed